N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide

C22H28N2O3 — CID 100544884

IUPACN-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-21(2,3)15-22(4,5)24-20(26)18(14-17-12-9-13-27-17)23-19(25)16-10-7-6-8-11-16/h6-14H,15H2,1-5H3,(H,23,25)(H,24,26)/b18-14-
InChIKeyMFKRGGMOWJSGEB-JXAWBTAJSA-N
MW368.48 g/mol
LogP4.38
Rot. Bonds6

About N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide

N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide (PubChem CID 100544884) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide
PubChem CID100544884
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-21(2,3)15-22(4,5)24-20(26)18(14-17-12-9-13-27-17)23-19(25)16-10-7-6-8-11-16/h6-14H,15H2,1-5H3,(H,23,25)(H,24,26)/b18-14-
InChIKeyMFKRGGMOWJSGEB-JXAWBTAJSA-N
XLogP4.38
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
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N-[3-[[3-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
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N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pentan-2-ylamino)prop-1-en-2-yl]benzamide
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N-[(Z)-1-(furan-2-yl)-3-(4-methylpentylamino)-3-oxoprop-1-en-2-yl]benzamide
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N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide (CID 100544884) is N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide is CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide?
The InChIKey is MFKRGGMOWJSGEB-JXAWBTAJSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-21(2,3)15-22(4,5)24-20(26)18(14-17-12-9-13-27-17)23-19(25)16-10-7-6-8-11-16/h6-14H,15H2,1-5H3,(H,23,25)(H,24,26)/b18-14-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide?
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 100544884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).